#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu s ALA 5 N 0.14 0.45 0.33 0.00 0.00 -1.26 -4.77 121.76 116.64 1yhu s ALA 5 Ca 0.31 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1yhu s ALA 5 Cb 0.01 -3.28 0.58 0.00 0.00 0.00 0.00 23.12 20.43 1yhu s ALA 5 CO -0.18 -3.26 1.87 1.98 0.00 0.00 0.00 175.76 176.17 1yhu h MET 6 N -2.21 0.55 -0.16 0.00 4.05 -1.99 -0.69 114.93 114.48 1yhu h MET 6 Ca -0.54 -0.12 -0.04 0.00 -0.28 0.00 0.00 59.70 58.72 1yhu h MET 6 Cb 1.31 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1yhu h MET 6 CO 0.49 0.57 -0.04 -0.07 0.23 0.00 0.00 176.91 178.09 1yhu h LEU 7 N 0.53 0.31 -1.64 3.39 3.38 -1.99 -1.11 115.31 118.18 1yhu h LEU 7 Ca 0.11 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 57.83 1yhu h LEU 7 Cb 0.32 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1yhu h LEU 7 CO 0.01 0.61 0.43 -0.33 0.09 0.00 0.00 178.44 179.24 1yhu h GLU 8 N 0.00 0.38 0.12 1.13 5.08 -1.72 0.13 114.58 119.69 1yhu h GLU 8 Ca 0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1yhu h GLU 8 Cb 0.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1yhu h GLU 8 CO 0.02 0.25 -0.06 0.00 -1.00 0.00 0.00 179.01 178.22 1yhu h ARG 9 N 0.39 -0.15 -0.92 2.33 3.08 -0.84 0.33 114.38 118.60 1yhu h ARG 9 Ca 0.30 0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.59 1yhu h ARG 9 Cb 0.65 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.60 1yhu h ARG 9 CO -0.08 0.34 0.42 0.00 -1.07 0.00 0.00 179.97 179.57 1yhu h ALA 10 N -0.10 1.50 -0.10 0.04 0.00 -0.39 0.26 119.26 120.47 1yhu h ALA 10 Ca -0.02 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1yhu h ALA 10 Cb 0.56 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1yhu h ALA 10 CO 0.03 -0.36 -0.04 -0.22 0.00 0.00 0.00 179.25 178.65 1yhu h LYS 11 N 0.40 0.20 -0.93 0.00 3.64 -0.66 -1.18 116.57 118.04 1yhu h LYS 11 Ca 0.58 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.91 1yhu h LYS 11 Cb 1.13 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1yhu h LYS 11 CO -0.54 0.54 0.61 0.28 -2.27 0.00 0.00 179.45 178.07 1yhu h VAL 12 N -0.14 1.17 0.75 2.00 2.07 0.22 -1.55 116.25 120.77 1yhu h VAL 12 Ca 0.02 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1yhu h VAL 12 Cb 0.47 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1yhu h VAL 12 CO 0.01 0.22 -0.36 0.11 0.02 0.00 0.00 177.57 177.57 1yhu h LYS 13 N 1.19 -0.97 -0.97 1.57 1.57 -0.51 -0.19 116.57 118.26 1yhu h LYS 13 Ca 0.37 0.07 0.13 0.00 -1.87 0.00 0.00 60.65 59.34 1yhu h LYS 13 Cb -0.02 0.22 -0.14 0.00 0.08 0.00 0.00 32.23 32.37 1yhu h LYS 13 CO -0.11 -0.63 -0.45 -0.25 -0.57 0.00 0.00 179.45 177.44 1yhu n ASP 14 N -5.50 -0.77 -0.13 0.86 8.00 -0.46 -0.75 116.55 117.80 1yhu n ASP 14 Ca -0.14 1.71 -0.11 0.00 0.71 0.00 0.00 54.79 56.96 1yhu n ASP 14 Cb 0.41 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 1yhu n ASP 14 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1yhu h GLU 15 N 0.00 0.66 -0.56 -1.24 5.08 -1.19 -2.40 114.58 114.93 1yhu h GLU 15 Ca 0.27 -0.21 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1yhu h GLU 15 Cb 0.52 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1yhu h GLU 15 CO -0.95 0.76 0.18 2.35 -1.00 0.00 0.00 179.01 180.36 1yhu h TRP 16 N 0.48 0.31 0.10 4.33 2.91 0.52 0.34 115.95 124.94 1yhu h TRP 16 Ca 0.11 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.18 1yhu h TRP 16 Cb 0.47 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.02 1yhu h TRP 16 CO 0.04 0.07 -0.37 0.00 -1.03 0.00 0.00 178.44 177.15 1yhu h ALA 17 N 1.40 -0.62 -0.65 2.65 0.00 -0.72 0.78 119.26 122.09 1yhu h ALA 17 Ca 0.28 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1yhu h ALA 17 Cb 0.35 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1yhu h ALA 17 CO -0.30 -0.91 0.30 -0.22 0.00 0.00 0.00 179.25 178.12 1yhu h LYS 18 N -0.58 0.52 0.12 0.00 1.63 -0.88 -2.64 116.57 114.75 1yhu h LYS 18 Ca 0.03 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1yhu h LYS 18 Cb 0.62 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1yhu h LYS 18 CO -0.23 0.34 -0.06 0.00 -3.45 0.00 0.00 179.45 176.05 1yhu h ALA 19 N 1.40 -0.17 -0.17 5.00 0.00 -0.21 -3.14 119.26 121.98 1yhu h ALA 19 Ca 0.32 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1yhu h ALA 19 Cb 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1yhu h ALA 19 CO -0.26 -0.29 0.35 -0.92 0.00 0.00 0.00 179.25 178.13 1yhu h TYR 20 N -0.77 0.00 -0.76 0.00 3.20 0.60 -3.47 116.97 115.78 1yhu h TYR 20 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1yhu h TYR 20 Cb 0.54 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1yhu h TYR 20 CO 0.09 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.02 1yhu n GLY 21 N -1.33 -1.55 0.19 1.82 0.00 -1.00 -3.50 105.19 99.82 1yhu n GLY 21 Ca 0.02 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.73 1yhu n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yhu n ILE 22 N -0.72 1.17 0.00 -0.61 5.41 -1.26 -4.81 119.36 118.53 1yhu n ILE 22 Ca 0.00 0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.98 1yhu n ILE 22 Cb 0.00 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 36.84 1yhu n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yhu n GLY 23 N 1.72 0.28 0.21 7.39 0.00 -1.26 -4.76 105.19 108.76 1yhu n GLY 23 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1yhu n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhu h ALA 24 N 0.27 0.96 -0.48 4.61 0.00 -1.98 -2.81 119.26 119.83 1yhu h ALA 24 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1yhu h ALA 24 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1yhu h ALA 24 CO 0.00 0.29 0.24 0.00 0.00 0.00 0.00 179.25 179.78 1yhu h ALA 25 N 1.77 1.51 -0.10 0.00 0.00 -1.89 -2.21 119.26 118.33 1yhu h ALA 25 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1yhu h ALA 25 Cb 0.85 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1yhu h ALA 25 CO 0.03 0.39 0.03 0.00 0.00 0.00 0.00 179.25 179.71 1yhu h ARG 26 N 0.68 0.16 -0.16 0.00 3.08 -1.53 0.38 114.38 116.98 1yhu h ARG 26 Ca 0.17 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.23 1yhu h ARG 26 Cb 0.06 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1yhu h ARG 26 CO -0.02 0.30 -0.10 1.03 -1.07 0.00 0.00 179.97 180.11 1yhu h SER 27 N -0.01 -0.32 -0.23 7.04 0.87 -1.57 0.42 113.55 119.74 1yhu h SER 27 Ca 0.03 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1yhu h SER 27 Cb 0.21 0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.27 1yhu h SER 27 CO -0.00 -0.13 -0.26 0.50 -0.53 0.00 0.00 176.83 176.40 1yhu h LYS 28 N -0.10 -0.27 -0.14 2.24 3.64 -1.15 0.09 116.57 120.88 1yhu h LYS 28 Ca 0.09 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1yhu h LYS 28 Cb 0.24 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1yhu h LYS 28 CO -0.22 -0.18 -0.17 0.35 -2.27 0.00 0.00 179.45 176.96 1yhu h PHE 29 N -0.28 -0.44 -0.35 1.91 3.57 -0.38 0.66 116.94 121.64 1yhu h PHE 29 Ca 0.13 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1yhu h PHE 29 Cb 0.48 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 1yhu h PHE 29 CO -0.40 -0.24 -0.06 0.78 -2.23 0.00 0.00 178.31 176.15 1yhu h GLY 30 N -0.21 0.28 1.15 2.40 0.00 -0.24 0.29 103.07 106.73 1yhu h GLY 30 Ca 0.10 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.55 1yhu h GLY 30 CO -0.26 -0.12 0.53 -0.55 0.00 0.00 0.00 176.54 176.14 1yhu h ASP 31 N 0.03 0.88 0.20 0.19 3.45 -0.32 -1.43 116.42 119.42 1yhu h ASP 31 Ca 0.17 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 1yhu h ASP 31 Cb 0.25 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1yhu h ASP 31 CO -0.34 0.62 -0.10 0.00 -1.57 0.00 0.00 179.24 177.86 1yhu h ALA 32 N 1.52 -0.27 -0.18 3.45 0.00 0.44 -2.04 119.26 122.18 1yhu h ALA 32 Ca 0.31 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1yhu h ALA 32 Cb -0.03 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1yhu h ALA 32 CO -0.08 -0.51 -0.37 1.25 0.00 0.00 0.00 179.25 179.54 1yhu h LEU 33 N -0.56 -1.18 -1.21 0.00 5.85 -0.08 -2.05 115.31 116.07 1yhu h LEU 33 Ca -0.03 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1yhu h LEU 33 Cb 0.42 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1yhu h LEU 33 CO 0.05 -0.39 -0.13 -0.50 -0.34 0.00 0.00 178.44 177.13 1yhu h TRP 34 N -0.42 0.41 -0.70 1.25 4.06 -1.33 -0.71 115.95 118.51 1yhu h TRP 34 Ca 0.10 -0.06 0.05 0.00 2.06 0.00 0.00 58.89 61.04 1yhu h TRP 34 Cb 0.59 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.58 1yhu h TRP 34 CO -0.47 0.51 0.42 -0.09 -3.56 0.00 0.00 178.44 175.25 1yhu h ARG 35 N 0.36 0.77 -0.05 0.49 2.43 -0.82 -1.44 114.38 116.12 1yhu h ARG 35 Ca 0.07 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1yhu h ARG 35 Cb 0.45 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1yhu h ARG 35 CO 0.03 0.51 0.02 -0.91 -1.51 0.00 0.00 179.97 178.10 1yhu h ASN 36 N 0.79 0.06 -0.62 -3.80 -0.26 -0.72 -1.80 115.58 109.24 1yhu h ASN 36 Ca 0.30 -0.16 0.13 0.00 -0.56 0.00 0.00 56.30 56.01 1yhu h ASN 36 Cb 0.11 -0.02 -0.10 0.00 -1.06 0.00 0.00 38.32 37.25 1yhu h ASN 36 CO -0.15 0.20 0.05 0.58 -1.06 0.00 0.00 177.43 177.06 1yhu h VAL 37 N -0.08 0.54 0.00 2.81 2.07 -0.48 0.20 116.25 121.31 1yhu h VAL 37 Ca 0.02 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1yhu h VAL 37 Cb 0.16 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1yhu h VAL 37 CO -0.00 0.03 0.00 0.49 0.02 0.00 0.00 177.57 178.11 1yhu n PHE 38 N -5.23 0.36 -0.05 1.57 0.99 -0.61 -1.93 117.46 112.57 1yhu n PHE 38 Ca 0.09 0.11 -0.10 0.00 -0.00 0.00 0.00 57.45 57.56 1yhu n PHE 38 Cb 0.35 -0.68 -0.15 0.00 -1.00 0.00 0.00 39.48 38.00 1yhu n PHE 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1yhu n ASN 39 N -1.80 0.70 0.01 4.37 5.03 -0.07 -2.24 115.26 121.26 1yhu n ASN 39 Ca 0.06 0.28 -0.09 0.00 0.87 0.00 0.00 54.58 55.69 1yhu n ASN 39 Cb 0.34 0.20 0.06 0.00 -1.02 0.00 0.00 39.78 39.36 1yhu n ASN 39 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1yhu h TYR 40 N 0.00 0.68 -2.04 3.10 -1.99 -0.63 -3.38 116.97 112.72 1yhu h TYR 40 Ca -0.37 -0.24 -0.52 0.00 2.00 0.00 0.00 58.73 59.59 1yhu h TYR 40 Cb 2.08 -0.13 -0.35 0.00 2.00 0.00 0.00 36.73 40.34 1yhu h TYR 40 CO 0.00 0.98 -0.93 0.00 -0.00 0.00 0.00 178.16 178.21 1yhu n ALA 41 N -2.52 2.06 0.28 3.88 0.00 -0.81 -4.99 120.51 118.40 1yhu n ALA 41 Ca -0.03 -2.85 0.16 0.00 0.00 0.00 0.00 53.44 50.72 1yhu n ALA 41 Cb 0.61 -0.87 0.78 0.00 0.00 0.00 0.00 19.45 19.96 1yhu n ALA 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1yhu h PRO 42 N 5.18 0.00 0.00 0.00 0.13 -1.63 -0.01 132.00 135.67 1yhu h PRO 42 Ca 0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.28 1yhu h PRO 42 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1yhu h PRO 42 CO 0.34 0.00 -0.20 -0.91 -0.23 0.00 0.00 178.00 177.00 1yhu h ASN 43 N 0.00 0.00 0.59 1.44 4.21 -1.94 -3.14 115.58 116.74 1yhu h ASN 43 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1yhu h ASN 43 Cb 0.81 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.01 1yhu h ASN 43 CO -0.00 0.20 0.00 0.00 -1.29 0.00 0.00 177.43 176.34 1yhu n ALA 44 N -2.16 1.72 -0.05 -0.83 0.00 -0.02 -3.25 120.51 115.93 1yhu n ALA 44 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1yhu n ALA 44 Cb 0.59 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 1yhu n ALA 44 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1yhu h ARG 45 N 0.00 0.27 -0.24 0.00 2.43 -1.69 -2.36 114.38 112.79 1yhu h ARG 45 Ca 0.00 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1yhu h ARG 45 Cb 0.30 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1yhu h ARG 45 CO 0.00 0.39 0.44 -0.44 -1.51 0.00 0.00 179.97 178.85 1yhu h ASP 46 N 0.10 0.00 -0.23 -3.80 3.32 -1.79 0.98 116.42 114.99 1yhu h ASP 46 Ca 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1yhu h ASP 46 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1yhu h ASP 46 CO -0.00 0.00 0.04 0.40 -1.72 0.00 0.00 179.24 177.96 1yhu h ILE 47 N 0.00 1.17 -0.96 0.35 2.04 -1.62 -3.03 117.51 115.45 1yhu h ILE 47 Ca 0.12 -0.64 -0.49 0.00 1.00 0.00 0.00 64.86 64.85 1yhu h ILE 47 Cb 0.99 0.88 -0.29 0.00 -0.74 0.00 0.00 36.82 37.66 1yhu h ILE 47 CO -0.00 0.22 0.62 0.49 0.00 0.00 0.00 178.15 179.49 1yhu n PHE 48 N -4.33 2.98 0.30 1.37 3.01 0.34 -4.47 117.46 116.66 1yhu n PHE 48 Ca 0.01 -1.78 0.16 0.00 1.01 0.00 0.00 57.45 56.85 1yhu n PHE 48 Cb 0.20 -0.92 0.62 0.00 -0.01 0.00 0.00 39.48 39.37 1yhu n PHE 48 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1yhu h GLU 49 N 1.08 0.00 0.00 -1.08 4.11 -1.64 -1.75 114.58 115.30 1yhu h GLU 49 Ca 0.60 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 60.02 1yhu h GLU 49 Cb 2.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 32.06 1yhu h GLU 49 CO 1.07 0.00 -0.09 0.77 0.07 0.00 0.00 179.01 180.83 1yhu h SER 50 N 0.00 0.00 -0.49 3.06 0.02 -1.86 -1.74 113.55 112.54 1yhu h SER 50 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1yhu h SER 50 Cb 0.53 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.86 1yhu h SER 50 CO 0.00 0.09 -0.21 1.33 -1.14 0.00 0.00 176.83 176.90 1yhu n VAL 51 N -3.74 2.64 -3.74 2.27 0.24 -0.71 -4.97 118.33 110.31 1yhu n VAL 51 Ca -0.02 -3.21 -0.32 0.00 -2.04 0.00 0.00 64.34 58.75 1yhu n VAL 51 Cb 0.19 -0.62 0.03 0.00 -1.47 0.00 0.00 33.84 31.98 1yhu n VAL 51 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1yhu n ASN 52 N -1.00 -4.51 0.00 -1.34 4.05 -0.65 -2.83 115.26 108.98 1yhu n ASN 52 Ca 0.38 -1.03 0.10 0.00 0.45 0.00 0.00 54.58 54.48 1yhu n ASN 52 Cb 0.95 -3.23 0.51 0.00 1.23 0.00 0.00 39.78 39.24 1yhu n ASN 52 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1yhu n SER 53 N -2.68 0.00 -0.08 1.20 3.41 -0.92 -2.98 113.62 111.56 1yhu n SER 53 Ca -0.13 0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 1yhu n SER 53 Cb 0.60 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1yhu n SER 53 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1yhu h LYS 54 N 0.00 0.40 -3.97 4.33 1.79 -1.88 -3.33 116.57 113.90 1yhu h LYS 54 Ca 0.00 -0.03 -0.73 0.00 -2.18 0.00 0.00 60.65 57.71 1yhu h LYS 54 Cb 0.24 -0.08 -0.31 0.00 -1.58 0.00 0.00 32.23 30.49 1yhu h LYS 54 CO 0.00 0.29 -0.28 0.34 -1.08 0.00 0.00 179.45 178.72 1yhu s ASP 55 N -5.51 5.77 0.00 0.86 3.68 -1.16 -4.94 116.67 115.38 1yhu s ASP 55 Ca -0.13 -2.39 0.02 0.00 2.13 0.00 0.00 52.55 52.18 1yhu s ASP 55 Cb 0.09 -2.00 0.10 0.00 -1.45 0.00 0.00 42.92 39.66 1yhu s ASP 55 CO 0.71 -0.56 0.86 0.80 0.13 0.00 0.00 175.17 177.11 1yhu n MET 56 N 4.24 0.03 -0.03 4.34 0.00 -1.25 -0.64 117.12 123.80 1yhu n MET 56 Ca 0.02 0.26 0.03 0.00 -0.00 0.00 0.00 57.70 58.01 1yhu n MET 56 Cb 0.41 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 32.18 1yhu n MET 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1yhu n ALA 57 N -1.28 2.36 -1.77 -5.12 0.00 -1.26 -4.67 120.51 108.77 1yhu n ALA 57 Ca 0.01 -0.72 -0.39 0.00 0.00 0.00 0.00 53.44 52.34 1yhu n ALA 57 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 1yhu n ALA 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yhu s SER 58 N -0.67 6.47 0.37 0.00 1.04 0.18 -4.83 113.70 116.27 1yhu s SER 58 Ca 0.09 2.44 0.08 0.00 0.48 0.00 0.00 55.95 59.04 1yhu s SER 58 Cb 0.06 -2.62 0.80 0.00 0.10 0.00 0.00 66.02 64.36 1yhu s SER 58 CO 0.08 -0.72 1.93 1.55 0.98 0.00 0.00 173.24 177.06 1yhu h PRO 59 N 2.68 0.67 -0.37 4.02 0.13 -1.95 0.07 132.00 137.25 1yhu h PRO 59 Ca -0.49 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 64.68 1yhu h PRO 59 Cb 1.24 -0.15 -0.08 0.00 0.13 0.00 0.00 31.00 32.14 1yhu h PRO 59 CO 0.63 0.45 -0.13 0.93 -0.23 0.00 0.00 178.00 179.64 1yhu h GLU 60 N 0.69 -0.05 -0.06 0.86 3.07 -1.90 0.22 114.58 117.41 1yhu h GLU 60 Ca 0.36 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.01 1yhu h GLU 60 Cb 0.46 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1yhu h GLU 60 CO -0.13 -0.03 -0.77 0.35 -1.40 0.00 0.00 179.01 177.03 1yhu h PHE 61 N -0.05 0.90 -0.89 4.33 3.57 -1.09 -2.49 116.94 121.22 1yhu h PHE 61 Ca 0.18 -0.44 0.09 0.00 3.53 0.00 0.00 57.97 61.33 1yhu h PHE 61 Cb 0.33 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1yhu h PHE 61 CO -0.37 1.26 0.58 0.87 -2.23 0.00 0.00 178.31 178.42 1yhu h LYS 62 N 0.28 0.89 -0.64 1.11 1.57 -0.70 0.26 116.57 119.34 1yhu h LYS 62 Ca -0.08 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1yhu h LYS 62 Cb 1.43 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1yhu h LYS 62 CO 0.15 0.59 0.43 0.00 -0.57 0.00 0.00 179.45 180.05 1yhu h ALA 63 N 1.54 0.82 0.63 3.86 0.00 -0.47 0.14 119.26 125.78 1yhu h ALA 63 Ca 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1yhu h ALA 63 Cb 0.34 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1yhu h ALA 63 CO -0.17 0.24 -0.30 1.25 0.00 0.00 0.00 179.25 180.27 1yhu h HIS 64 N 0.87 -0.78 -0.72 0.00 -0.00 -0.24 -1.03 115.15 113.24 1yhu h HIS 64 Ca 0.24 -0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.75 1yhu h HIS 64 Cb -0.10 0.26 -0.12 0.00 -0.00 0.00 0.00 27.41 27.45 1yhu h HIS 64 CO -0.03 -0.48 0.06 0.82 -0.00 0.00 0.00 177.93 178.30 1yhu h ILE 65 N -0.86 0.42 -0.38 6.26 2.04 -0.28 0.18 117.51 124.90 1yhu h ILE 65 Ca -0.09 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1yhu h ILE 65 Cb 0.65 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1yhu h ILE 65 CO 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 178.15 178.28 1yhu h ALA 66 N 1.65 0.31 -0.11 1.87 0.00 -0.29 0.23 119.26 122.91 1yhu h ALA 66 Ca 0.40 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1yhu h ALA 66 Cb 0.69 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1yhu h ALA 66 CO -0.59 -0.42 0.05 0.00 0.00 0.00 0.00 179.25 178.28 1yhu h ARG 67 N 0.06 0.17 -0.54 0.00 3.08 0.59 -0.37 114.38 117.36 1yhu h ARG 67 Ca 0.18 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1yhu h ARG 67 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1yhu h ARG 67 CO -0.34 0.27 0.25 -0.24 -1.07 0.00 0.00 179.97 178.83 1yhu h VAL 68 N 0.03 1.21 -0.73 2.04 3.04 -0.74 0.35 116.25 121.44 1yhu h VAL 68 Ca 0.04 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1yhu h VAL 68 Cb 0.17 0.60 -0.04 0.00 -2.01 0.00 0.00 31.29 30.01 1yhu h VAL 68 CO -0.00 0.24 0.46 -0.07 -1.01 0.00 0.00 177.57 177.18 1yhu h LEU 69 N 0.73 0.86 -1.11 3.16 3.38 -0.87 0.22 115.31 121.68 1yhu h LEU 69 Ca 0.18 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1yhu h LEU 69 Cb 0.15 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1yhu h LEU 69 CO -0.02 0.65 0.61 1.23 0.09 0.00 0.00 178.44 181.00 1yhu h GLY 70 N 0.99 1.32 0.83 0.83 0.00 -0.41 0.28 103.07 106.92 1yhu h GLY 70 Ca 0.26 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1yhu h GLY 70 CO -0.05 0.41 -0.19 -1.33 0.00 0.00 0.00 176.54 175.38 1yhu h GLY 71 N 1.17 -0.54 -0.24 4.60 0.00 0.34 -0.08 103.07 108.31 1yhu h GLY 71 Ca 0.36 0.20 0.18 0.00 0.00 0.00 0.00 47.33 48.07 1yhu h GLY 71 CO -0.10 -0.20 0.14 1.41 0.00 0.00 0.00 176.54 177.79 1yhu h LEU 72 N -0.69 -0.09 0.76 3.11 3.38 0.09 0.10 115.31 121.96 1yhu h LEU 72 Ca -0.05 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1yhu h LEU 72 Cb 0.49 0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1yhu h LEU 72 CO 0.09 -0.10 -0.37 -0.78 0.09 0.00 0.00 178.44 177.37 1yhu h ASP 73 N 0.21 -0.87 -0.53 -0.43 -0.00 -0.21 -0.81 116.42 113.78 1yhu h ASP 73 Ca 0.44 0.03 0.15 0.00 -0.00 0.00 0.00 57.03 57.65 1yhu h ASP 73 Cb 0.80 0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 40.34 1yhu h ASP 73 CO -0.59 -0.50 0.41 0.08 -0.00 0.00 0.00 179.24 178.65 1yhu h ARG 74 N -1.26 0.00 0.06 0.28 0.11 -0.45 -0.21 114.38 112.91 1yhu h ARG 74 Ca -0.10 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 1yhu h ARG 74 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1yhu h ARG 74 CO 0.17 0.00 -0.03 0.28 0.10 0.00 0.00 179.97 180.49 1yhu h VAL 75 N 0.00 0.83 -0.27 0.08 2.07 -0.89 -3.11 116.25 114.97 1yhu h VAL 75 Ca 0.25 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.38 1yhu h VAL 75 Cb 1.08 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 1yhu h VAL 75 CO -0.00 0.26 -0.18 0.40 0.02 0.00 0.00 177.57 178.07 1yhu h ILE 76 N -0.96 0.50 -0.12 4.57 2.04 -0.64 0.42 117.51 123.32 1yhu h ILE 76 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1yhu h ILE 76 Cb 0.49 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1yhu h ILE 76 CO 0.01 0.00 0.21 0.77 0.00 0.00 0.00 178.15 179.15 1yhu h SER 77 N -0.16 0.00 -0.24 1.72 4.64 -1.18 0.61 113.55 118.94 1yhu h SER 77 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1yhu h SER 77 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1yhu h SER 77 CO -0.36 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.83 1yhu n MET 78 N -3.44 2.08 0.03 4.77 2.81 0.11 -4.36 117.12 119.12 1yhu n MET 78 Ca 0.00 -1.62 0.22 0.00 -1.81 0.00 0.00 57.70 54.49 1yhu n MET 78 Cb 0.31 -1.45 0.73 0.00 -0.71 0.00 0.00 33.22 32.10 1yhu n MET 78 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1yhu h LEU 79 N 3.27 0.00 -3.14 4.03 3.38 -0.62 0.36 115.31 122.59 1yhu h LEU 79 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1yhu h LEU 79 Cb 0.72 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.29 1yhu h LEU 79 CO 0.00 0.00 0.37 -0.90 0.09 0.00 0.00 178.44 178.00 1yhu n ASP 80 N -3.93 3.45 -2.82 -0.43 3.85 -1.26 -4.44 116.55 110.97 1yhu n ASP 80 Ca 0.10 -2.92 -0.07 0.00 -0.71 0.00 0.00 54.79 51.18 1yhu n ASP 80 Cb 0.67 -0.69 0.01 0.00 -1.35 0.00 0.00 41.12 39.75 1yhu n ASP 80 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1yhu n ASN 81 N -0.43 -3.06 -0.35 -1.12 4.05 0.11 -5.02 115.26 109.44 1yhu n ASN 81 Ca 0.34 -2.94 0.02 0.00 0.45 0.00 0.00 54.58 52.45 1yhu n ASN 81 Cb 1.17 1.55 0.09 0.00 1.23 0.00 0.00 39.78 43.82 1yhu n ASN 81 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1yhu h GLN 82 N 4.85 -0.01 0.00 1.20 1.08 -1.78 -0.58 115.11 119.87 1yhu h GLN 82 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1yhu h GLN 82 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1yhu h GLN 82 CO 0.10 -0.01 0.00 0.00 -0.95 0.00 0.00 178.83 177.98 1yhu n ALA 83 N -3.50 0.00 0.15 3.87 0.00 -1.26 -0.23 120.51 119.54 1yhu n ALA 83 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1yhu n ALA 83 Cb 0.44 0.33 -0.08 0.00 0.00 0.00 0.00 19.45 20.15 1yhu n ALA 83 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1yhu h THR 84 N 0.00 0.78 -0.89 0.00 2.02 -1.78 -3.01 112.91 110.03 1yhu h THR 84 Ca 0.00 -0.06 0.13 0.00 0.77 0.00 0.00 66.41 67.25 1yhu h THR 84 Cb 0.00 0.82 -0.14 0.00 -1.74 0.00 0.00 68.15 67.09 1yhu h THR 84 CO 0.00 0.01 -0.41 0.25 0.37 0.00 0.00 175.52 175.74 1yhu h LEU 85 N -0.35 -1.50 -0.09 2.58 5.85 -0.59 0.15 115.31 121.37 1yhu h LEU 85 Ca -0.03 0.29 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1yhu h LEU 85 Cb 0.27 0.75 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1yhu h LEU 85 CO 0.05 -0.29 -0.05 0.44 -0.34 0.00 0.00 178.44 178.25 1yhu h ASP 86 N -0.05 -0.16 -0.16 1.25 3.32 -0.58 0.18 116.42 120.22 1yhu h ASP 86 Ca 0.29 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.41 1yhu h ASP 86 Cb 0.56 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1yhu h ASP 86 CO -0.91 -0.07 -0.05 0.00 -1.72 0.00 0.00 179.24 176.50 1yhu h ALA 87 N 1.03 0.10 -0.61 3.45 0.00 -0.97 0.35 119.26 122.62 1yhu h ALA 87 Ca 0.05 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1yhu h ALA 87 Cb 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1yhu h ALA 87 CO -0.12 -0.49 0.11 0.22 0.00 0.00 0.00 179.25 178.98 1yhu h ASP 88 N -0.01 0.95 -0.57 0.00 3.58 -0.57 0.71 116.42 120.52 1yhu h ASP 88 Ca 0.08 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 1yhu h ASP 88 Cb 0.13 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1yhu h ASP 88 CO -0.17 0.96 0.31 -0.07 -2.88 0.00 0.00 179.24 177.40 1yhu h LEU 89 N 0.90 0.71 -0.60 2.28 3.38 -0.24 -0.23 115.31 121.51 1yhu h LEU 89 Ca 0.19 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1yhu h LEU 89 Cb 0.41 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1yhu h LEU 89 CO 0.01 0.59 0.26 0.00 0.09 0.00 0.00 178.44 179.39 1yhu h ALA 90 N 1.14 0.79 0.01 1.53 0.00 0.33 0.15 119.26 123.21 1yhu h ALA 90 Ca 0.20 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1yhu h ALA 90 Cb 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1yhu h ALA 90 CO -0.03 -0.13 -0.15 1.25 0.00 0.00 0.00 179.25 180.19 1yhu h HIS 91 N 0.48 -0.38 -0.70 0.00 -0.00 0.14 -0.93 115.15 113.75 1yhu h HIS 91 Ca 0.29 0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.76 1yhu h HIS 91 Cb 0.30 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.84 1yhu h HIS 91 CO -0.14 -0.22 0.46 -0.07 -0.00 0.00 0.00 177.93 177.97 1yhu h LEU 92 N -0.25 0.55 -0.29 0.26 3.38 -0.12 -0.29 115.31 118.55 1yhu h LEU 92 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yhu h LEU 92 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1yhu h LEU 92 CO -0.14 0.34 0.16 0.50 0.09 0.00 0.00 178.44 179.40 1yhu h LYS 93 N 0.62 0.40 -0.89 1.13 3.64 0.27 -0.55 116.57 121.19 1yhu h LYS 93 Ca 0.32 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.78 1yhu h LYS 93 Cb 0.42 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1yhu h LYS 93 CO -0.11 0.34 0.57 0.77 -2.27 0.00 0.00 179.45 178.75 1yhu h SER 94 N 0.36 0.70 0.87 4.20 0.02 0.07 0.46 113.55 120.23 1yhu h SER 94 Ca 0.10 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1yhu h SER 94 Cb 0.05 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1yhu h SER 94 CO -0.02 0.37 -0.58 1.56 -1.14 0.00 0.00 176.83 177.02 1yhu h GLN 95 N 0.75 0.00 0.00 3.45 4.20 -0.48 -3.34 115.11 119.68 1yhu h GLN 95 Ca 0.44 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.84 1yhu h GLN 95 Cb 0.62 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 1yhu h GLN 95 CO -0.20 0.58 -2.23 0.72 -0.67 0.00 0.00 178.83 177.03 1yhu n HIS 96 N -3.56 0.14 -0.16 2.96 8.25 -0.27 -4.58 115.22 117.98 1yhu n HIS 96 Ca -0.00 0.05 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 1yhu n HIS 96 Cb 0.64 -0.95 0.02 0.00 1.12 0.00 0.00 29.99 30.82 1yhu n HIS 96 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1yhu h ASP 97 N 0.00 -0.80 0.20 0.41 3.45 -0.28 -0.62 116.42 118.77 1yhu h ASP 97 Ca -0.43 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1yhu h ASP 97 Cb 2.03 0.44 0.00 0.00 -0.56 0.00 0.00 39.33 41.23 1yhu h ASP 97 CO 0.03 -0.25 0.00 -0.81 -1.57 0.00 0.00 179.24 176.64 1yhu n PRO 98 N -5.41 0.15 0.00 3.56 -0.04 -1.26 -1.56 135.00 130.44 1yhu n PRO 98 Ca 0.04 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 1yhu n PRO 98 Cb 0.32 -1.93 0.59 0.00 -0.04 0.00 0.00 33.50 32.45 1yhu n PRO 98 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1yhu n ARG 99 N -2.24 0.59 -3.74 0.54 3.00 -0.24 -4.96 116.66 109.60 1yhu n ARG 99 Ca -0.00 -0.19 -0.23 0.00 -0.01 0.00 0.00 57.85 57.41 1yhu n ARG 99 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.05 1yhu n ARG 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1yhu n THR 100 N -1.04 -3.93 -3.85 0.55 -2.24 -0.60 -4.93 114.28 98.24 1yhu n THR 100 Ca 0.13 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.51 1yhu n THR 100 Cb 0.28 -3.27 -0.08 0.00 -2.10 0.00 0.00 70.33 65.16 1yhu n THR 100 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1yhu s ILE 101 N -3.00 5.29 -0.10 2.28 1.01 -1.26 -5.04 121.20 120.37 1yhu s ILE 101 Ca 0.01 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 1yhu s ILE 101 Cb -0.01 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 1yhu s ILE 101 CO 0.89 0.51 1.85 -0.62 0.00 0.00 0.00 174.94 177.57 1yhu s ASP 102 N -0.15 6.28 0.64 3.58 3.68 -1.26 -4.82 116.67 124.62 1yhu s ASP 102 Ca 0.10 2.14 0.24 0.00 2.13 0.00 0.00 52.55 57.16 1yhu s ASP 102 Cb -0.12 -2.53 1.31 0.00 -1.45 0.00 0.00 42.92 40.14 1yhu s ASP 102 CO 0.00 -1.26 1.73 1.55 0.13 0.00 0.00 175.17 177.33 1yhu h PRO 103 N 11.27 0.00 -0.46 4.34 0.13 -1.96 0.13 132.00 145.46 1yhu h PRO 103 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1yhu h PRO 103 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1yhu h PRO 103 CO 0.96 0.00 0.30 0.28 -0.23 0.00 0.00 178.00 179.32 1yhu h VAL 104 N 0.00 1.12 -0.83 1.56 2.07 -1.93 -0.76 116.25 117.48 1yhu h VAL 104 Ca 0.00 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1yhu h VAL 104 Cb 0.87 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1yhu h VAL 104 CO 0.00 0.11 0.54 0.78 0.02 0.00 0.00 177.57 179.02 1yhu h ASN 105 N 0.62 0.78 0.43 0.57 -0.26 -1.11 0.21 115.58 116.82 1yhu h ASN 105 Ca 0.17 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1yhu h ASN 105 Cb -0.07 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.03 1yhu h ASN 105 CO -0.04 0.49 0.00 -0.26 -1.06 0.00 0.00 177.43 176.57 1yhu h PHE 106 N 0.88 0.00 0.08 1.19 -1.00 -1.29 -0.39 116.94 116.41 1yhu h PHE 106 Ca 0.36 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.99 1yhu h PHE 106 Cb 0.27 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.84 1yhu h PHE 106 CO -0.00 0.00 -0.63 0.28 -1.61 0.00 0.00 178.31 176.35 1yhu h VAL 107 N 0.00 1.52 -0.45 -0.55 2.07 -0.58 -2.15 116.25 116.11 1yhu h VAL 107 Ca 0.00 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 65.26 1yhu h VAL 107 Cb 0.22 3.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.94 1yhu h VAL 107 CO 0.00 0.66 0.00 0.58 0.02 0.00 0.00 177.57 178.83 1yhu h VAL 108 N -0.37 0.65 0.15 2.57 2.07 -0.67 -0.77 116.25 119.88 1yhu h VAL 108 Ca -0.10 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1yhu h VAL 108 Cb 1.44 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1yhu h VAL 108 CO 0.12 0.02 -0.49 0.15 0.02 0.00 0.00 177.57 177.39 1yhu h PHE 109 N 0.12 -1.41 -0.82 1.57 3.57 -1.10 0.34 116.94 119.20 1yhu h PHE 109 Ca 0.23 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.94 1yhu h PHE 109 Cb 0.33 0.60 -0.15 0.00 2.79 0.00 0.00 35.95 39.51 1yhu h PHE 109 CO -0.29 -0.58 -0.15 -0.09 -2.23 0.00 0.00 178.31 174.97 1yhu h ARG 110 N -0.74 0.02 0.63 1.11 2.43 -0.61 0.71 114.38 117.91 1yhu h ARG 110 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1yhu h ARG 110 Cb 0.75 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1yhu h ARG 110 CO -0.26 0.01 -0.49 0.87 -1.51 0.00 0.00 179.97 178.60 1yhu h LYS 111 N 0.02 -1.03 -0.95 0.20 1.79 -0.12 -0.57 116.57 115.91 1yhu h LYS 111 Ca 0.41 0.07 0.17 0.00 -2.18 0.00 0.00 60.65 59.12 1yhu h LYS 111 Cb 0.67 0.24 -0.10 0.00 -1.58 0.00 0.00 32.23 31.46 1yhu h LYS 111 CO -0.82 -0.69 0.55 0.00 -1.08 0.00 0.00 179.45 177.41 1yhu h ALA 112 N -1.07 1.50 -0.10 3.86 0.00 0.11 -0.02 119.26 123.55 1yhu h ALA 112 Ca -0.08 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yhu h ALA 112 Cb 0.89 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1yhu h ALA 112 CO 0.02 -0.03 0.05 1.25 0.00 0.00 0.00 179.25 180.53 1yhu h LEU 113 N 0.74 0.12 -0.33 0.00 5.85 0.69 -0.62 115.31 121.75 1yhu h LEU 113 Ca 0.53 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.19 1yhu h LEU 113 Cb 0.76 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1yhu h LEU 113 CO -0.36 0.21 -0.08 0.40 -0.34 0.00 0.00 178.44 178.26 1yhu h ILE 114 N 0.03 0.67 0.23 4.05 2.04 0.36 0.24 117.51 125.13 1yhu h ILE 114 Ca 0.03 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1yhu h ILE 114 Cb 0.12 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1yhu h ILE 114 CO -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.80 1yhu h ALA 115 N 1.33 -0.95 -0.45 1.87 0.00 -0.76 -0.19 119.26 120.11 1yhu h ALA 115 Ca 0.16 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1yhu h ALA 115 Cb 0.24 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1yhu h ALA 115 CO -0.34 -1.00 -0.06 1.15 0.00 0.00 0.00 179.25 179.00 1yhu h THR 116 N -0.61 0.59 -0.10 0.00 2.02 -0.63 0.44 112.91 114.64 1yhu h THR 116 Ca -0.03 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1yhu h THR 116 Cb 0.56 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1yhu h THR 116 CO -0.11 0.01 -0.02 0.58 0.37 0.00 0.00 175.52 176.35 1yhu h VAL 117 N 0.05 1.28 -0.37 3.16 2.07 -0.46 -1.65 116.25 120.33 1yhu h VAL 117 Ca 0.22 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1yhu h VAL 117 Cb 0.33 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1yhu h VAL 117 CO -0.42 0.26 0.13 0.00 0.02 0.00 0.00 177.57 177.56 1yhu h ALA 118 N 0.69 0.49 -0.24 1.67 0.00 -0.89 0.89 119.26 121.87 1yhu h ALA 118 Ca 0.03 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1yhu h ALA 118 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1yhu h ALA 118 CO 0.01 0.11 0.19 0.78 0.00 0.00 0.00 179.25 180.34 1yhu h GLY 119 N 0.46 0.00 0.35 0.00 0.00 -0.07 -0.38 103.07 103.43 1yhu h GLY 119 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.09 1yhu h GLY 119 CO -0.01 0.00 -2.19 2.41 0.00 0.00 0.00 176.54 176.75 1yhu n THR 120 N -4.26 1.58 0.07 4.70 -1.04 -0.63 -4.56 114.28 110.15 1yhu n THR 120 Ca 0.03 -0.69 -0.15 0.00 -2.04 0.00 0.00 64.05 61.20 1yhu n THR 120 Cb 0.33 -1.29 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 1yhu n THR 120 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1yhu h PHE 121 N 0.02 0.66 0.00 -1.42 3.04 0.13 -3.48 116.94 115.89 1yhu h PHE 121 Ca -0.48 -0.38 0.00 0.00 3.98 0.00 0.00 57.97 61.09 1yhu h PHE 121 Cb 2.02 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 40.47 1yhu h PHE 121 CO 0.04 1.22 0.00 0.41 -2.02 0.00 0.00 178.31 177.95 1yhu n GLY 122 N 1.07 2.27 0.05 2.40 0.00 -0.19 -4.72 105.19 106.06 1yhu n GLY 122 Ca -0.08 -2.10 0.02 0.00 0.00 0.00 0.00 46.02 43.86 1yhu n GLY 122 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yhu n VAL 123 N -0.19 1.17 0.31 1.61 0.24 -1.26 -1.04 118.33 119.16 1yhu n VAL 123 Ca 0.00 0.57 0.14 0.00 -2.04 0.00 0.00 64.34 63.01 1yhu n VAL 123 Cb 0.00 -1.57 0.42 0.00 -1.47 0.00 0.00 33.84 31.22 1yhu n VAL 123 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yhu n PHE 125 N -2.91 1.26 -3.02 0.00 -0.00 -0.20 -4.86 117.46 107.71 1yhu n PHE 125 Ca 0.03 0.99 -0.45 0.00 -0.00 0.00 0.00 57.45 58.03 1yhu n PHE 125 Cb 0.41 -2.20 -0.02 0.00 -0.00 0.00 0.00 39.48 37.67 1yhu n PHE 125 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1yhu s ASP 126 N 1.41 6.73 0.14 -2.13 -1.08 -1.26 -4.92 116.67 115.57 1yhu s ASP 126 Ca 0.96 -2.34 -0.28 0.00 -0.52 0.00 0.00 52.55 50.37 1yhu s ASP 126 Cb -1.29 -2.36 -0.02 0.00 -1.46 0.00 0.00 42.92 37.79 1yhu s ASP 126 CO 0.65 -0.90 1.58 0.58 0.52 0.00 0.00 175.17 177.60 1yhu h VAL 127 N 5.41 0.12 -0.42 1.11 2.07 -1.97 -0.92 116.25 121.66 1yhu h VAL 127 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.72 1yhu h VAL 127 Cb 1.00 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1yhu h VAL 127 CO 1.05 0.00 0.22 1.55 0.02 0.00 0.00 177.57 180.41 1yhu h PRO 128 N -0.39 0.43 -0.86 1.57 0.13 -1.99 -0.73 132.00 130.16 1yhu h PRO 128 Ca 0.11 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.25 1yhu h PRO 128 Cb 0.60 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 1yhu h PRO 128 CO -0.51 0.28 0.56 0.00 -0.23 0.00 0.00 178.00 178.11 1yhu h ALA 129 N 1.21 1.46 -0.05 -0.56 0.00 -1.79 0.11 119.26 119.64 1yhu h ALA 129 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1yhu h ALA 129 Cb 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1yhu h ALA 129 CO -0.11 0.45 -0.03 -1.49 0.00 0.00 0.00 179.25 178.08 1yhu h TRP 130 N 1.07 0.13 -0.67 0.00 4.06 -0.57 -1.81 115.95 118.16 1yhu h TRP 130 Ca 0.34 -0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.29 1yhu h TRP 130 Cb 0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 1yhu h TRP 130 CO -0.00 0.49 0.41 1.96 -3.56 0.00 0.00 178.44 177.74 1yhu h GLN 131 N -0.27 0.77 0.97 0.49 4.20 -0.84 0.50 115.11 120.93 1yhu h GLN 131 Ca 0.01 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1yhu h GLN 131 Cb 0.46 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1yhu h GLN 131 CO 0.01 0.51 -0.49 0.78 -0.67 0.00 0.00 178.83 178.97 1yhu h GLY 132 N 0.79 -1.40 2.00 3.46 0.00 -0.93 -2.05 103.07 104.94 1yhu h GLY 132 Ca 0.28 0.53 -0.05 0.00 0.00 0.00 0.00 47.33 48.09 1yhu h GLY 132 CO -0.13 -0.50 -0.25 0.00 0.00 0.00 0.00 176.54 175.66 1yhu h TYR 134 N 0.00 1.13 -0.87 0.00 3.20 0.13 -2.59 116.97 117.97 1yhu h TYR 134 Ca -0.00 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 1yhu h TYR 134 Cb 0.62 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1yhu h TYR 134 CO 0.00 0.91 0.47 -0.91 -1.64 0.00 0.00 178.16 176.99 1yhu h ASN 135 N 1.03 1.09 -0.83 -2.11 2.35 -0.60 0.15 115.58 116.65 1yhu h ASN 135 Ca 0.22 -0.10 0.16 0.00 -0.55 0.00 0.00 56.30 56.04 1yhu h ASN 135 Cb 0.31 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 1yhu h ASN 135 CO -0.01 0.88 0.55 0.40 -1.65 0.00 0.00 177.43 177.60 1yhu h ILE 136 N 1.22 0.77 0.00 2.81 1.08 -1.11 0.67 117.51 122.96 1yhu h ILE 136 Ca 0.31 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1yhu h ILE 136 Cb 0.03 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 1yhu h ILE 136 CO -0.05 0.09 -0.04 0.40 -0.69 0.00 0.00 178.15 177.86 1yhu h ILE 137 N 0.49 1.66 -0.55 -0.67 2.04 -1.09 -2.46 117.51 116.93 1yhu h ILE 137 Ca 0.42 -2.00 0.06 0.00 1.00 0.00 0.00 64.86 64.35 1yhu h ILE 137 Cb 0.91 3.01 -0.06 0.00 -0.74 0.00 0.00 36.82 39.94 1yhu h ILE 137 CO -0.16 0.52 0.24 0.00 0.00 0.00 0.00 178.15 178.76 1yhu h ALA 138 N 0.16 0.70 0.29 1.87 0.00 0.02 -0.24 119.26 122.06 1yhu h ALA 138 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yhu h ALA 138 Cb 0.88 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1yhu h ALA 138 CO 0.01 -0.13 -0.42 -0.22 0.00 0.00 0.00 179.25 178.49 1yhu h LYS 139 N 0.46 -0.73 -0.87 0.00 1.63 0.24 0.85 116.57 118.15 1yhu h LYS 139 Ca 0.26 0.05 0.18 0.00 -0.85 0.00 0.00 60.65 60.29 1yhu h LYS 139 Cb 0.23 0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 31.96 1yhu h LYS 139 CO -0.22 -0.49 0.57 0.78 -3.45 0.00 0.00 179.45 176.65 1yhu h GLY 140 N -0.76 0.88 1.70 5.01 0.00 -0.88 0.34 103.07 109.36 1yhu h GLY 140 Ca -0.01 -0.20 -0.24 0.00 0.00 0.00 0.00 47.33 46.88 1yhu h GLY 140 CO -0.14 0.02 -1.21 -2.22 0.00 0.00 0.00 176.54 173.00 1yhu h ILE 141 N 0.45 1.48 -0.96 2.60 2.04 -0.41 -3.40 117.51 119.32 1yhu h ILE 141 Ca 0.44 -3.20 -0.35 0.00 1.00 0.00 0.00 64.86 62.75 1yhu h ILE 141 Cb 1.03 2.77 -0.39 0.00 -0.74 0.00 0.00 36.82 39.49 1yhu h ILE 141 CO -0.17 0.86 -1.17 0.35 0.00 0.00 0.00 178.15 178.02 1yhu n THR 142 N -3.32 0.96 0.00 -0.27 -2.24 0.23 -4.28 114.28 105.37 1yhu n THR 142 Ca -0.05 -3.00 0.00 0.00 -2.27 0.00 0.00 64.05 58.73 1yhu n THR 142 Cb 0.98 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1yhu n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yhu n GLY 143 N -0.09 0.00 0.00 3.38 0.00 0.11 -4.81 105.19 103.78 1yhu n GLY 143 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1yhu n GLY 143 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yhu n SER 144 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.06 113.62 111.79 1yhu n SER 144 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1yhu n SER 144 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1yhu n SER 144 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yhu n ASP 145 N 0.00 0.00 0.00 -3.46 5.75 -1.26 -4.75 116.55 112.82 1yhu n ASP 145 Ca 0.00 0.74 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 1yhu n ASP 145 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1yhu n ASP 145 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yhu n ALA 146 N -1.22 0.77 -1.68 2.12 0.00 -1.26 -5.11 120.51 114.13 1yhu n ALA 146 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1yhu n ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yhu n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50